CID 150913

2-chloroethyl 2,6-dichloroisonicotinate

Structural Information

Molecular Formula
C8H6Cl3NO2
SMILES
C1=C(C=C(N=C1Cl)Cl)C(=O)OCCCl
InChI
InChI=1S/C8H6Cl3NO2/c9-1-2-14-8(13)5-3-6(10)12-7(11)4-5/h3-4H,1-2H2
InChIKey
OAHOEVKBVUJZSP-UHFFFAOYSA-N
Compound name
2-chloroethyl 2,6-dichloropyridine-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

6
References

0
Patents

252.94641 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.95369 143.8
[M+Na]+ 275.93563 154.3
[M-H]- 251.93913 144.7
[M+NH4]+ 270.98023 161.1
[M+K]+ 291.90957 149.3
[M+H-H2O]+ 235.94367 139.6
[M+HCOO]- 297.94461 151.8
[M+CH3COO]- 311.96026 190.5
[M+Na-2H]- 273.92108 147.8
[M]+ 252.94586 148.8
[M]- 252.94696 148.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.